[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine

C14H18F3NO2S — CID 106585544

IUPAC[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c15-14(16,17)11-5-7-12(8-6-11)21(19,20)13-4-2-1-3-10(13)9-18/h5-8,10,13H,1-4,9,18H2
InChIKeyNGMOXXSOCRCSSU-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.00
Rot. Bonds3

About [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine

[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine (PubChem CID 106585544) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine
PubChem CID106585544
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c15-14(16,17)11-5-7-12(8-6-11)21(19,20)13-4-2-1-3-10(13)9-18/h5-8,10,13H,1-4,9,18H2
InChIKeyNGMOXXSOCRCSSU-UHFFFAOYSA-N
XLogP3.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine (CID 106585544) is [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine is NCC1CCCCC1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine?
The InChIKey is NGMOXXSOCRCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c15-14(16,17)11-5-7-12(8-6-11)21(19,20)13-4-2-1-3-10(13)9-18/h5-8,10,13H,1-4,9,18H2.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine?
[2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine has a molecular weight of 321.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanamine is sourced from PubChem (CID 106585544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).